CID 2440054

4-fluoro-n-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C7H8FNO2S
SMILES
CNS(=O)(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C7H8FNO2S/c1-9-12(10,11)7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKey
RDRBNXNITJCMPV-UHFFFAOYSA-N
Compound name
4-fluoro-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

181
Patents

189.02597 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.03325 133.7
[M+Na]+ 212.01519 142.9
[M-H]- 188.01869 136.7
[M+NH4]+ 207.05979 153.7
[M+K]+ 227.98913 140.0
[M+H-H2O]+ 172.02323 127.3
[M+HCOO]- 234.02417 152.7
[M+CH3COO]- 248.03982 180.5
[M+Na-2H]- 210.00064 139.3
[M]+ 189.02542 134.4
[M]- 189.02652 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe